USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 GLN : amide:sc= -0.248 K(o=-0.25,f=-2!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 66 SER OG : rot 21:sc= 0.382! USER MOD Set 2.2: A 93 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0.0171 USER MOD Set 3.2: A 83 ASN : amide:sc= -0.388 X(o=-0.37,f=0.028) USER MOD Set 4.1: A 73 TYR OH : rot 70:sc= -0.944 USER MOD Set 4.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -60:sc= 1.16 USER MOD Single : A 20 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 39 SER OG : rot 180:sc= -0.984 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 46 ASN : amide:sc= -0.0949 X(o=-0.095,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 65 SER OG : rot 134:sc= 0.889 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= -0.018 (180deg=-1.02) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -3.16! (180deg=-4.15!) USER MOD Single : A 75 SER OG : rot -118:sc= 1.27 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0714 USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000311 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.64) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.52 USER MOD Single : A 96 HIS : no HD1:sc= -1.05 K(o=-1,f=-2.2!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.857 K(o=-0.86,f=-2.2!) USER MOD Single : A 105 SER OG : rot -52:sc= 0.0658 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 51:sc= -1.77 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -119:sc= -0.534 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.485 -24.760 -6.322 1.00 0.00 N ATOM 67 CA ASP A 8 9.692 -23.929 -5.142 1.00 0.00 C ATOM 68 C ASP A 8 10.584 -22.735 -5.469 1.00 0.00 C ATOM 69 O ASP A 8 10.276 -21.601 -5.103 1.00 0.00 O ATOM 70 CB ASP A 8 10.315 -24.753 -4.014 1.00 0.00 C ATOM 71 CG ASP A 8 9.585 -26.061 -3.782 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.454 -26.024 -3.253 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.144 -27.122 -4.130 1.00 0.00 O ATOM 0 HA ASP A 8 8.721 -23.556 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.358 -24.960 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.308 -24.168 -3.094 1.00 0.00 H new ATOM 78 N GLU A 9 11.690 -22.999 -6.158 1.00 0.00 N ATOM 79 CA GLU A 9 12.626 -21.946 -6.531 1.00 0.00 C ATOM 80 C GLU A 9 11.883 -20.685 -6.963 1.00 0.00 C ATOM 81 O GLU A 9 12.201 -19.583 -6.520 1.00 0.00 O ATOM 82 CB GLU A 9 13.542 -22.424 -7.659 1.00 0.00 C ATOM 83 CG GLU A 9 14.496 -23.530 -7.242 1.00 0.00 C ATOM 84 CD GLU A 9 15.694 -23.008 -6.471 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.537 -22.009 -5.739 1.00 0.00 O ATOM 86 OE2 GLU A 9 16.786 -23.598 -6.601 1.00 0.00 O ATOM 0 H GLU A 9 11.959 -23.933 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 9 13.232 -21.707 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.929 -22.778 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.120 -21.577 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.961 -24.254 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.843 -24.060 -8.129 1.00 0.00 H new ATOM 93 N GLU A 10 10.893 -20.858 -7.833 1.00 0.00 N ATOM 94 CA GLU A 10 10.106 -19.734 -8.327 1.00 0.00 C ATOM 95 C GLU A 10 9.414 -19.008 -7.177 1.00 0.00 C ATOM 96 O GLU A 10 9.438 -17.779 -7.099 1.00 0.00 O ATOM 97 CB GLU A 10 9.065 -20.217 -9.339 1.00 0.00 C ATOM 98 CG GLU A 10 9.641 -20.499 -10.716 1.00 0.00 C ATOM 99 CD GLU A 10 10.144 -21.923 -10.858 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.314 -22.825 -11.094 1.00 0.00 O ATOM 101 OE2 GLU A 10 11.369 -22.134 -10.733 1.00 0.00 O ATOM 0 H GLU A 10 10.617 -21.765 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 10 10.784 -19.037 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.594 -21.123 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.282 -19.464 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.877 -20.310 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.460 -19.807 -10.912 1.00 0.00 H new ATOM 108 N THR A 11 8.796 -19.776 -6.285 1.00 0.00 N ATOM 109 CA THR A 11 8.096 -19.208 -5.140 1.00 0.00 C ATOM 110 C THR A 11 9.015 -18.304 -4.327 1.00 0.00 C ATOM 111 O THR A 11 8.625 -17.210 -3.918 1.00 0.00 O ATOM 112 CB THR A 11 7.534 -20.309 -4.222 1.00 0.00 C ATOM 113 OG1 THR A 11 6.650 -21.159 -4.961 1.00 0.00 O ATOM 114 CG2 THR A 11 6.792 -19.702 -3.041 1.00 0.00 C ATOM 0 H THR A 11 8.766 -20.794 -6.334 1.00 0.00 H new ATOM 0 HA THR A 11 7.269 -18.619 -5.536 1.00 0.00 H new ATOM 0 HB THR A 11 8.370 -20.897 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.298 -21.858 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.404 -20.499 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.475 -19.079 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.965 -19.093 -3.405 1.00 0.00 H new ATOM 122 N LYS A 12 10.239 -18.767 -4.096 1.00 0.00 N ATOM 123 CA LYS A 12 11.216 -18.000 -3.332 1.00 0.00 C ATOM 124 C LYS A 12 11.364 -16.591 -3.898 1.00 0.00 C ATOM 125 O LYS A 12 11.183 -15.604 -3.186 1.00 0.00 O ATOM 126 CB LYS A 12 12.572 -18.710 -3.342 1.00 0.00 C ATOM 127 CG LYS A 12 12.595 -19.989 -2.524 1.00 0.00 C ATOM 128 CD LYS A 12 14.000 -20.555 -2.413 1.00 0.00 C ATOM 129 CE LYS A 12 14.010 -21.883 -1.671 1.00 0.00 C ATOM 130 NZ LYS A 12 15.381 -22.266 -1.236 1.00 0.00 N ATOM 0 H LYS A 12 10.578 -19.670 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 12 10.859 -17.924 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.843 -18.942 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.332 -18.029 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.202 -19.791 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.939 -20.728 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.418 -20.691 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.640 -19.842 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.358 -21.817 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.603 -22.662 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.344 -23.176 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.998 -22.354 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.760 -21.535 -0.600 1.00 0.00 H new ATOM 144 N ALA A 13 11.692 -16.506 -5.183 1.00 0.00 N ATOM 145 CA ALA A 13 11.860 -15.218 -5.844 1.00 0.00 C ATOM 146 C ALA A 13 10.635 -14.333 -5.642 1.00 0.00 C ATOM 147 O ALA A 13 10.748 -13.110 -5.549 1.00 0.00 O ATOM 148 CB ALA A 13 12.131 -15.418 -7.328 1.00 0.00 C ATOM 0 H ALA A 13 11.847 -17.314 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 13 12.716 -14.715 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.254 -14.448 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.041 -16.005 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.292 -15.945 -7.783 1.00 0.00 H new ATOM 154 N PHE A 14 9.464 -14.958 -5.576 1.00 0.00 N ATOM 155 CA PHE A 14 8.217 -14.226 -5.387 1.00 0.00 C ATOM 156 C PHE A 14 8.094 -13.723 -3.952 1.00 0.00 C ATOM 157 O PHE A 14 7.529 -12.658 -3.704 1.00 0.00 O ATOM 158 CB PHE A 14 7.021 -15.117 -5.732 1.00 0.00 C ATOM 159 CG PHE A 14 6.604 -15.030 -7.172 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.259 -13.812 -7.735 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.558 -16.167 -7.963 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.874 -13.730 -9.060 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.174 -16.091 -9.289 1.00 0.00 C ATOM 164 CZ PHE A 14 5.833 -14.870 -9.838 1.00 0.00 C ATOM 0 H PHE A 14 9.353 -15.969 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 14 8.225 -13.365 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.269 -16.152 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.177 -14.839 -5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.291 -12.917 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.825 -17.124 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.605 -12.775 -9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.141 -16.985 -9.895 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.535 -14.807 -10.874 1.00 0.00 H new ATOM 174 N GLU A 15 8.627 -14.497 -3.012 1.00 0.00 N ATOM 175 CA GLU A 15 8.575 -14.130 -1.602 1.00 0.00 C ATOM 176 C GLU A 15 9.430 -12.896 -1.329 1.00 0.00 C ATOM 177 O GLU A 15 9.132 -12.107 -0.433 1.00 0.00 O ATOM 178 CB GLU A 15 9.049 -15.296 -0.731 1.00 0.00 C ATOM 179 CG GLU A 15 8.181 -16.537 -0.850 1.00 0.00 C ATOM 180 CD GLU A 15 8.285 -17.440 0.364 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.390 -17.963 0.621 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.263 -17.623 1.057 1.00 0.00 O ATOM 0 H GLU A 15 9.099 -15.381 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 15 7.540 -13.896 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.072 -15.551 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.069 -14.976 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.142 -16.237 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.472 -17.095 -1.740 1.00 0.00 H new ATOM 189 N ALA A 16 10.495 -12.737 -2.108 1.00 0.00 N ATOM 190 CA ALA A 16 11.393 -11.600 -1.952 1.00 0.00 C ATOM 191 C ALA A 16 10.990 -10.452 -2.872 1.00 0.00 C ATOM 192 O ALA A 16 10.995 -9.288 -2.469 1.00 0.00 O ATOM 193 CB ALA A 16 12.829 -12.019 -2.226 1.00 0.00 C ATOM 0 H ALA A 16 10.757 -13.382 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 16 11.319 -11.249 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.488 -11.159 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.120 -12.801 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.909 -12.398 -3.245 1.00 0.00 H new ATOM 199 N LEU A 17 10.642 -10.787 -4.110 1.00 0.00 N ATOM 200 CA LEU A 17 10.237 -9.784 -5.089 1.00 0.00 C ATOM 201 C LEU A 17 8.950 -9.089 -4.655 1.00 0.00 C ATOM 202 O LEU A 17 8.892 -7.862 -4.571 1.00 0.00 O ATOM 203 CB LEU A 17 10.044 -10.431 -6.461 1.00 0.00 C ATOM 204 CG LEU A 17 9.178 -9.654 -7.453 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.985 -8.544 -8.111 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.601 -10.590 -8.505 1.00 0.00 C ATOM 0 H LEU A 17 10.632 -11.745 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 17 11.027 -9.036 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.026 -10.585 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.601 -11.416 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 17 8.352 -9.200 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.352 -8.002 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.350 -7.858 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.832 -8.977 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.987 -10.020 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.414 -11.073 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.988 -11.349 -8.020 1.00 0.00 H new ATOM 218 N LEU A 18 7.920 -9.882 -4.379 1.00 0.00 N ATOM 219 CA LEU A 18 6.634 -9.344 -3.951 1.00 0.00 C ATOM 220 C LEU A 18 6.790 -8.492 -2.696 1.00 0.00 C ATOM 221 O LEU A 18 5.924 -7.678 -2.374 1.00 0.00 O ATOM 222 CB LEU A 18 5.644 -10.481 -3.690 1.00 0.00 C ATOM 223 CG LEU A 18 5.253 -11.323 -4.906 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.536 -12.590 -4.468 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.381 -10.515 -5.856 1.00 0.00 C ATOM 0 H LEU A 18 7.951 -10.899 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 18 6.249 -8.712 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.072 -11.143 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.737 -10.055 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 18 6.162 -11.609 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.265 -13.177 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.194 -13.177 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.634 -12.325 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.112 -11.130 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.475 -10.199 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.930 -9.637 -6.196 1.00 0.00 H new ATOM 237 N SER A 19 7.900 -8.683 -1.991 1.00 0.00 N ATOM 238 CA SER A 19 8.170 -7.934 -0.770 1.00 0.00 C ATOM 239 C SER A 19 9.313 -6.946 -0.980 1.00 0.00 C ATOM 240 O SER A 19 9.982 -6.543 -0.029 1.00 0.00 O ATOM 241 CB SER A 19 8.511 -8.889 0.375 1.00 0.00 C ATOM 242 OG SER A 19 8.898 -8.176 1.537 1.00 0.00 O ATOM 0 H SER A 19 8.628 -9.351 -2.245 1.00 0.00 H new ATOM 0 HA SER A 19 7.271 -7.374 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.647 -9.515 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.317 -9.556 0.069 1.00 0.00 H new ATOM 0 HG SER A 19 9.688 -7.631 1.339 1.00 0.00 H new ATOM 248 N ASN A 20 9.530 -6.559 -2.233 1.00 0.00 N ATOM 249 CA ASN A 20 10.592 -5.618 -2.569 1.00 0.00 C ATOM 250 C ASN A 20 10.013 -4.318 -3.119 1.00 0.00 C ATOM 251 O ASN A 20 10.688 -3.582 -3.839 1.00 0.00 O ATOM 252 CB ASN A 20 11.545 -6.238 -3.593 1.00 0.00 C ATOM 253 CG ASN A 20 12.913 -5.582 -3.581 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.141 -4.611 -2.860 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.830 -6.112 -4.381 1.00 0.00 N ATOM 0 H ASN A 20 8.985 -6.882 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 20 11.145 -5.392 -1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.654 -7.303 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.111 -6.150 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.768 -5.714 -4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.596 -6.917 -4.962 1.00 0.00 H new ATOM 262 N ILE A 21 8.760 -4.042 -2.773 1.00 0.00 N ATOM 263 CA ILE A 21 8.091 -2.830 -3.230 1.00 0.00 C ATOM 264 C ILE A 21 8.310 -1.679 -2.253 1.00 0.00 C ATOM 265 O ILE A 21 9.015 -1.824 -1.255 1.00 0.00 O ATOM 266 CB ILE A 21 6.578 -3.055 -3.410 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.857 -2.916 -2.067 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.315 -4.424 -4.019 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.349 -3.885 -1.014 1.00 0.00 C ATOM 0 H ILE A 21 8.188 -4.641 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 21 8.529 -2.573 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 21 6.191 -2.296 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.983 -1.898 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.789 -3.069 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.241 -4.568 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.802 -4.489 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.713 -5.197 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.794 -3.730 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.197 -4.907 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.411 -3.717 -0.833 1.00 0.00 H new ATOM 281 N VAL A 22 7.699 -0.536 -2.548 1.00 0.00 N ATOM 282 CA VAL A 22 7.824 0.639 -1.694 1.00 0.00 C ATOM 283 C VAL A 22 6.481 1.019 -1.082 1.00 0.00 C ATOM 284 O VAL A 22 5.426 0.764 -1.663 1.00 0.00 O ATOM 285 CB VAL A 22 8.378 1.845 -2.477 1.00 0.00 C ATOM 286 CG1 VAL A 22 7.410 2.261 -3.573 1.00 0.00 C ATOM 287 CG2 VAL A 22 8.662 3.006 -1.536 1.00 0.00 C ATOM 0 H VAL A 22 7.113 -0.399 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 22 8.522 0.379 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 22 9.316 1.550 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.819 3.114 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.262 1.430 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.454 2.538 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.053 3.849 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.740 3.302 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.397 2.700 -0.792 1.00 0.00 H new ATOM 297 N LYS A 23 6.526 1.632 0.096 1.00 0.00 N ATOM 298 CA LYS A 23 5.313 2.050 0.789 1.00 0.00 C ATOM 299 C LYS A 23 4.512 3.030 -0.061 1.00 0.00 C ATOM 300 O LYS A 23 5.064 3.888 -0.750 1.00 0.00 O ATOM 301 CB LYS A 23 5.665 2.692 2.133 1.00 0.00 C ATOM 302 CG LYS A 23 6.292 4.070 2.003 1.00 0.00 C ATOM 303 CD LYS A 23 6.428 4.750 3.355 1.00 0.00 C ATOM 304 CE LYS A 23 6.836 6.208 3.207 1.00 0.00 C ATOM 305 NZ LYS A 23 6.840 6.918 4.516 1.00 0.00 N ATOM 0 H LYS A 23 7.390 1.851 0.591 1.00 0.00 H new ATOM 0 HA LYS A 23 4.701 1.165 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.761 2.769 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.353 2.038 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.274 3.982 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.682 4.688 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.481 4.689 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.169 4.223 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.829 6.264 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.151 6.709 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.123 7.908 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.887 6.887 4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.513 6.455 5.160 1.00 0.00 H new ATOM 319 N PRO A 24 3.177 2.904 -0.011 1.00 0.00 N ATOM 320 CA PRO A 24 2.271 3.772 -0.770 1.00 0.00 C ATOM 321 C PRO A 24 2.254 5.200 -0.235 1.00 0.00 C ATOM 322 O PRO A 24 2.141 5.420 0.971 1.00 0.00 O ATOM 323 CB PRO A 24 0.904 3.112 -0.577 1.00 0.00 C ATOM 324 CG PRO A 24 1.021 2.365 0.707 1.00 0.00 C ATOM 325 CD PRO A 24 2.450 1.904 0.789 1.00 0.00 C ATOM 0 HA PRO A 24 2.572 3.863 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.108 3.856 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.667 2.443 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.767 3.003 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.336 1.518 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.805 1.878 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.572 0.899 0.384 1.00 0.00 H new ATOM 333 N VAL A 25 2.366 6.167 -1.139 1.00 0.00 N ATOM 334 CA VAL A 25 2.361 7.574 -0.758 1.00 0.00 C ATOM 335 C VAL A 25 0.961 8.168 -0.866 1.00 0.00 C ATOM 336 O VAL A 25 0.328 8.103 -1.919 1.00 0.00 O ATOM 337 CB VAL A 25 3.324 8.396 -1.635 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.170 9.883 -1.350 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.761 7.949 -1.412 1.00 0.00 C ATOM 0 H VAL A 25 2.461 6.002 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 25 2.694 7.622 0.279 1.00 0.00 H new ATOM 0 HB VAL A 25 3.071 8.223 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.858 10.447 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.147 10.191 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.394 10.078 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.428 8.540 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.028 8.091 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.859 6.895 -1.672 1.00 0.00 H new ATOM 349 N ALA A 26 0.484 8.748 0.231 1.00 0.00 N ATOM 350 CA ALA A 26 -0.840 9.356 0.260 1.00 0.00 C ATOM 351 C ALA A 26 -0.807 10.770 -0.311 1.00 0.00 C ATOM 352 O ALA A 26 -0.011 11.604 0.119 1.00 0.00 O ATOM 353 CB ALA A 26 -1.384 9.370 1.681 1.00 0.00 C ATOM 0 H ALA A 26 0.995 8.809 1.111 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.502 8.756 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.374 9.827 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.454 8.348 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.715 9.945 2.321 1.00 0.00 H new ATOM 359 N SER A 27 -1.678 11.032 -1.281 1.00 0.00 N ATOM 360 CA SER A 27 -1.745 12.344 -1.913 1.00 0.00 C ATOM 361 C SER A 27 -3.194 12.772 -2.124 1.00 0.00 C ATOM 362 O SER A 27 -4.123 12.011 -1.852 1.00 0.00 O ATOM 363 CB SER A 27 -1.006 12.327 -3.252 1.00 0.00 C ATOM 364 OG SER A 27 0.397 12.262 -3.060 1.00 0.00 O ATOM 0 H SER A 27 -2.346 10.353 -1.646 1.00 0.00 H new ATOM 0 HA SER A 27 -1.265 13.064 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.335 11.472 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.257 13.222 -3.821 1.00 0.00 H new ATOM 0 HG SER A 27 0.846 12.251 -3.931 1.00 0.00 H new ATOM 370 N ASP A 28 -3.379 13.994 -2.610 1.00 0.00 N ATOM 371 CA ASP A 28 -4.714 14.524 -2.860 1.00 0.00 C ATOM 372 C ASP A 28 -5.692 14.062 -1.784 1.00 0.00 C ATOM 373 O ASP A 28 -6.861 13.798 -2.067 1.00 0.00 O ATOM 374 CB ASP A 28 -5.210 14.088 -4.239 1.00 0.00 C ATOM 375 CG ASP A 28 -4.780 15.040 -5.337 1.00 0.00 C ATOM 376 OD1 ASP A 28 -3.587 15.408 -5.369 1.00 0.00 O ATOM 377 OD2 ASP A 28 -5.636 15.419 -6.164 1.00 0.00 O ATOM 0 H ASP A 28 -2.621 14.637 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.657 15.612 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.832 13.090 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.298 14.021 -4.226 1.00 0.00 H new ATOM 382 N ILE A 29 -5.205 13.964 -0.552 1.00 0.00 N ATOM 383 CA ILE A 29 -6.036 13.533 0.565 1.00 0.00 C ATOM 384 C ILE A 29 -7.292 14.391 0.679 1.00 0.00 C ATOM 385 O ILE A 29 -7.230 15.615 0.574 1.00 0.00 O ATOM 386 CB ILE A 29 -5.265 13.593 1.897 1.00 0.00 C ATOM 387 CG1 ILE A 29 -3.992 12.748 1.813 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.147 13.119 3.042 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.906 13.195 2.766 1.00 0.00 C ATOM 0 H ILE A 29 -4.239 14.177 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.321 12.500 0.366 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.980 14.628 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.242 11.708 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.608 12.785 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.588 13.167 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.027 13.759 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.459 12.091 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.034 12.551 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.628 14.225 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.272 13.131 3.791 1.00 0.00 H new ATOM 401 N GLN A 30 -8.430 13.739 0.896 1.00 0.00 N ATOM 402 CA GLN A 30 -9.700 14.442 1.025 1.00 0.00 C ATOM 403 C GLN A 30 -10.439 14.004 2.285 1.00 0.00 C ATOM 404 O GLN A 30 -9.951 13.167 3.044 1.00 0.00 O ATOM 405 CB GLN A 30 -10.574 14.192 -0.205 1.00 0.00 C ATOM 406 CG GLN A 30 -10.384 15.224 -1.306 1.00 0.00 C ATOM 407 CD GLN A 30 -10.648 14.658 -2.687 1.00 0.00 C ATOM 408 OE1 GLN A 30 -9.927 13.778 -3.159 1.00 0.00 O ATOM 409 NE2 GLN A 30 -11.685 15.162 -3.346 1.00 0.00 N ATOM 0 H GLN A 30 -8.498 12.725 0.986 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.489 15.509 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.351 13.202 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.621 14.185 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.053 16.066 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.366 15.611 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.256 15.890 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.910 14.821 -4.281 1.00 0.00 H new ATOM 418 N ALA A 31 -11.619 14.577 2.503 1.00 0.00 N ATOM 419 CA ALA A 31 -12.426 14.244 3.670 1.00 0.00 C ATOM 420 C ALA A 31 -12.314 12.762 4.010 1.00 0.00 C ATOM 421 O ALA A 31 -11.688 12.388 5.002 1.00 0.00 O ATOM 422 CB ALA A 31 -13.880 14.625 3.433 1.00 0.00 C ATOM 0 H ALA A 31 -12.037 15.274 1.886 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.046 14.814 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.471 14.370 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.950 15.697 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.263 14.081 2.569 1.00 0.00 H new ATOM 428 N ARG A 32 -12.926 11.922 3.182 1.00 0.00 N ATOM 429 CA ARG A 32 -12.897 10.480 3.397 1.00 0.00 C ATOM 430 C ARG A 32 -12.130 9.779 2.279 1.00 0.00 C ATOM 431 O ARG A 32 -11.656 8.655 2.446 1.00 0.00 O ATOM 432 CB ARG A 32 -14.321 9.926 3.478 1.00 0.00 C ATOM 433 CG ARG A 32 -15.309 10.880 4.129 1.00 0.00 C ATOM 434 CD ARG A 32 -16.746 10.488 3.822 1.00 0.00 C ATOM 435 NE ARG A 32 -17.674 10.968 4.842 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.995 10.881 4.734 1.00 0.00 C ATOM 437 NH1 ARG A 32 -19.540 10.334 3.656 1.00 0.00 N ATOM 438 NH2 ARG A 32 -19.774 11.341 5.705 1.00 0.00 N ATOM 0 H ARG A 32 -13.448 12.215 2.356 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.386 10.289 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.667 9.688 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.307 8.992 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.155 10.885 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.124 11.894 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.033 10.893 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.818 9.403 3.748 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.286 11.394 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.945 9.979 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.555 10.268 3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.358 11.762 6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.788 11.273 5.620 1.00 0.00 H new ATOM 452 N THR A 33 -12.013 10.450 1.137 1.00 0.00 N ATOM 453 CA THR A 33 -11.307 9.892 -0.009 1.00 0.00 C ATOM 454 C THR A 33 -9.868 10.394 -0.065 1.00 0.00 C ATOM 455 O THR A 33 -9.552 11.463 0.458 1.00 0.00 O ATOM 456 CB THR A 33 -12.014 10.245 -1.331 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.415 11.619 -1.321 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.230 9.358 -1.547 1.00 0.00 C ATOM 0 H THR A 33 -12.399 11.381 0.982 1.00 0.00 H new ATOM 0 HA THR A 33 -11.307 8.809 0.116 1.00 0.00 H new ATOM 0 HB THR A 33 -11.312 10.078 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.862 11.835 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.713 9.626 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.917 8.314 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.932 9.497 -0.725 1.00 0.00 H new ATOM 466 N VAL A 34 -8.999 9.617 -0.703 1.00 0.00 N ATOM 467 CA VAL A 34 -7.594 9.984 -0.830 1.00 0.00 C ATOM 468 C VAL A 34 -6.952 9.296 -2.030 1.00 0.00 C ATOM 469 O VAL A 34 -7.517 8.362 -2.599 1.00 0.00 O ATOM 470 CB VAL A 34 -6.803 9.620 0.440 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.604 9.964 1.686 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.426 8.146 0.429 1.00 0.00 C ATOM 0 H VAL A 34 -9.244 8.729 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.560 11.064 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.884 10.207 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.028 9.699 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.818 11.033 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.541 9.407 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.868 7.907 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.331 7.539 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.809 7.935 -0.445 1.00 0.00 H new ATOM 482 N VAL A 35 -5.768 9.765 -2.410 1.00 0.00 N ATOM 483 CA VAL A 35 -5.048 9.195 -3.542 1.00 0.00 C ATOM 484 C VAL A 35 -3.827 8.409 -3.077 1.00 0.00 C ATOM 485 O VAL A 35 -2.821 8.990 -2.665 1.00 0.00 O ATOM 486 CB VAL A 35 -4.596 10.288 -4.529 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.724 9.692 -5.623 1.00 0.00 C ATOM 488 CG2 VAL A 35 -5.802 10.999 -5.124 1.00 0.00 C ATOM 0 H VAL A 35 -5.287 10.538 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.739 8.522 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.002 11.022 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.414 10.479 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.842 9.233 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.290 8.936 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.465 11.768 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.424 10.278 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.382 11.461 -4.325 1.00 0.00 H new ATOM 498 N LEU A 36 -3.920 7.086 -3.145 1.00 0.00 N ATOM 499 CA LEU A 36 -2.822 6.219 -2.732 1.00 0.00 C ATOM 500 C LEU A 36 -2.039 5.718 -3.941 1.00 0.00 C ATOM 501 O LEU A 36 -2.551 4.941 -4.747 1.00 0.00 O ATOM 502 CB LEU A 36 -3.358 5.032 -1.929 1.00 0.00 C ATOM 503 CG LEU A 36 -2.341 4.300 -1.054 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.806 5.223 0.030 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.965 3.056 -0.437 1.00 0.00 C ATOM 0 H LEU A 36 -4.745 6.590 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.149 6.801 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.168 5.387 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.792 4.314 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.507 3.990 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.083 4.684 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.321 6.083 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.630 5.564 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.226 2.548 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.818 3.343 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.298 2.385 -1.229 1.00 0.00 H new ATOM 517 N THR A 37 -0.793 6.166 -4.060 1.00 0.00 N ATOM 518 CA THR A 37 0.062 5.762 -5.169 1.00 0.00 C ATOM 519 C THR A 37 1.313 5.049 -4.668 1.00 0.00 C ATOM 520 O THR A 37 2.014 5.551 -3.790 1.00 0.00 O ATOM 521 CB THR A 37 0.482 6.973 -6.024 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.663 7.777 -6.330 1.00 0.00 O ATOM 523 CG2 THR A 37 1.149 6.519 -7.313 1.00 0.00 C ATOM 0 H THR A 37 -0.354 6.809 -3.401 1.00 0.00 H new ATOM 0 HA THR A 37 -0.521 5.077 -5.784 1.00 0.00 H new ATOM 0 HB THR A 37 1.197 7.564 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.388 8.545 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.437 7.391 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.036 5.932 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.453 5.908 -7.888 1.00 0.00 H new ATOM 531 N TRP A 38 1.586 3.879 -5.232 1.00 0.00 N ATOM 532 CA TRP A 38 2.755 3.097 -4.842 1.00 0.00 C ATOM 533 C TRP A 38 3.467 2.535 -6.068 1.00 0.00 C ATOM 534 O TRP A 38 2.868 2.389 -7.133 1.00 0.00 O ATOM 535 CB TRP A 38 2.343 1.958 -3.909 1.00 0.00 C ATOM 536 CG TRP A 38 1.434 0.958 -4.557 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.805 -0.132 -5.292 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.002 0.957 -4.529 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.690 -0.809 -5.723 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.428 -0.162 -5.268 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.957 1.792 -3.951 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.776 -0.465 -5.443 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.295 1.491 -4.126 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.694 0.370 -4.866 1.00 0.00 C ATOM 0 H TRP A 38 1.015 3.450 -5.960 1.00 0.00 H new ATOM 0 HA TRP A 38 3.444 3.757 -4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.238 1.448 -3.553 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.846 2.377 -3.034 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.824 -0.419 -5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.694 -1.657 -6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.659 2.657 -3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.086 -1.328 -6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.045 2.131 -3.685 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.747 0.161 -4.983 1.00 0.00 H new ATOM 555 N SER A 39 4.749 2.222 -5.910 1.00 0.00 N ATOM 556 CA SER A 39 5.544 1.679 -7.005 1.00 0.00 C ATOM 557 C SER A 39 5.655 0.161 -6.895 1.00 0.00 C ATOM 558 O SER A 39 5.565 -0.417 -5.812 1.00 0.00 O ATOM 559 CB SER A 39 6.940 2.305 -7.009 1.00 0.00 C ATOM 560 OG SER A 39 7.902 1.402 -7.526 1.00 0.00 O ATOM 0 H SER A 39 5.259 2.335 -5.034 1.00 0.00 H new ATOM 0 HA SER A 39 5.042 1.922 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.932 3.215 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.216 2.594 -5.995 1.00 0.00 H new ATOM 0 HG SER A 39 8.785 1.826 -7.519 1.00 0.00 H new ATOM 566 N PRO A 40 5.856 -0.501 -8.044 1.00 0.00 N ATOM 567 CA PRO A 40 5.985 -1.960 -8.105 1.00 0.00 C ATOM 568 C PRO A 40 7.285 -2.454 -7.479 1.00 0.00 C ATOM 569 O PRO A 40 8.211 -1.683 -7.223 1.00 0.00 O ATOM 570 CB PRO A 40 5.969 -2.255 -9.606 1.00 0.00 C ATOM 571 CG PRO A 40 6.458 -1.001 -10.245 1.00 0.00 C ATOM 572 CD PRO A 40 5.974 0.124 -9.372 1.00 0.00 C ATOM 0 HA PRO A 40 5.193 -2.462 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.612 -3.100 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.966 -2.509 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.546 -0.998 -10.318 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.070 -0.903 -11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.677 0.957 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.018 0.518 -9.717 1.00 0.00 H new ATOM 580 N PRO A 41 7.359 -3.769 -7.226 1.00 0.00 N ATOM 581 CA PRO A 41 8.541 -4.395 -6.628 1.00 0.00 C ATOM 582 C PRO A 41 9.733 -4.412 -7.580 1.00 0.00 C ATOM 583 O PRO A 41 9.565 -4.406 -8.799 1.00 0.00 O ATOM 584 CB PRO A 41 8.075 -5.822 -6.330 1.00 0.00 C ATOM 585 CG PRO A 41 6.974 -6.071 -7.302 1.00 0.00 C ATOM 586 CD PRO A 41 6.293 -4.746 -7.505 1.00 0.00 C ATOM 0 HA PRO A 41 8.888 -3.853 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.886 -6.538 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.725 -5.918 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.365 -6.457 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.275 -6.814 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.909 -4.643 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.447 -4.621 -6.830 1.00 0.00 H new ATOM 594 N SER A 42 10.936 -4.432 -7.015 1.00 0.00 N ATOM 595 CA SER A 42 12.155 -4.447 -7.814 1.00 0.00 C ATOM 596 C SER A 42 12.710 -5.863 -7.933 1.00 0.00 C ATOM 597 O SER A 42 13.062 -6.489 -6.934 1.00 0.00 O ATOM 598 CB SER A 42 13.207 -3.525 -7.194 1.00 0.00 C ATOM 599 OG SER A 42 12.854 -2.163 -7.362 1.00 0.00 O ATOM 0 H SER A 42 11.092 -4.438 -6.007 1.00 0.00 H new ATOM 0 HA SER A 42 11.910 -4.087 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.311 -3.749 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.177 -3.712 -7.655 1.00 0.00 H new ATOM 0 HG SER A 42 13.541 -1.594 -6.956 1.00 0.00 H new ATOM 605 N SER A 43 12.785 -6.360 -9.163 1.00 0.00 N ATOM 606 CA SER A 43 13.294 -7.704 -9.414 1.00 0.00 C ATOM 607 C SER A 43 14.782 -7.791 -9.091 1.00 0.00 C ATOM 608 O SER A 43 15.571 -6.941 -9.507 1.00 0.00 O ATOM 609 CB SER A 43 13.053 -8.099 -10.873 1.00 0.00 C ATOM 610 OG SER A 43 13.935 -9.133 -11.273 1.00 0.00 O ATOM 0 H SER A 43 12.500 -5.853 -10.001 1.00 0.00 H new ATOM 0 HA SER A 43 12.758 -8.396 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.021 -8.428 -10.998 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.191 -7.230 -11.516 1.00 0.00 H new ATOM 0 HG SER A 43 13.760 -9.369 -12.208 1.00 0.00 H new ATOM 616 N LEU A 44 15.159 -8.824 -8.345 1.00 0.00 N ATOM 617 CA LEU A 44 16.553 -9.024 -7.964 1.00 0.00 C ATOM 618 C LEU A 44 17.138 -10.248 -8.662 1.00 0.00 C ATOM 619 O LEU A 44 18.153 -10.795 -8.229 1.00 0.00 O ATOM 620 CB LEU A 44 16.670 -9.183 -6.447 1.00 0.00 C ATOM 621 CG LEU A 44 16.142 -8.019 -5.608 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.103 -8.398 -4.135 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.996 -6.778 -5.819 1.00 0.00 C ATOM 0 H LEU A 44 14.519 -9.536 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 44 17.119 -8.146 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.136 -10.087 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.720 -9.338 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 44 15.126 -7.795 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.725 -7.558 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.448 -9.258 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.108 -8.650 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.605 -5.960 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.024 -6.989 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.972 -6.494 -6.871 1.00 0.00 H new ATOM 635 N ILE A 45 16.493 -10.670 -9.744 1.00 0.00 N ATOM 636 CA ILE A 45 16.952 -11.827 -10.503 1.00 0.00 C ATOM 637 C ILE A 45 18.332 -11.579 -11.102 1.00 0.00 C ATOM 638 O ILE A 45 18.959 -12.491 -11.639 1.00 0.00 O ATOM 639 CB ILE A 45 15.970 -12.182 -11.636 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.589 -12.503 -11.061 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.499 -13.356 -12.446 1.00 0.00 C ATOM 642 CD1 ILE A 45 14.480 -13.901 -10.494 1.00 0.00 C ATOM 0 H ILE A 45 15.652 -10.229 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 45 17.006 -12.662 -9.804 1.00 0.00 H new ATOM 0 HB ILE A 45 15.876 -11.322 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.354 -11.783 -10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.841 -12.378 -11.844 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.795 -13.595 -13.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.463 -13.093 -12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.619 -14.222 -11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.474 -14.058 -10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.683 -14.629 -11.279 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.204 -14.025 -9.689 1.00 0.00 H new ATOM 654 N ASN A 46 18.801 -10.340 -11.002 1.00 0.00 N ATOM 655 CA ASN A 46 20.109 -9.972 -11.532 1.00 0.00 C ATOM 656 C ASN A 46 20.089 -9.943 -13.057 1.00 0.00 C ATOM 657 O ASN A 46 21.112 -10.161 -13.706 1.00 0.00 O ATOM 658 CB ASN A 46 21.175 -10.955 -11.043 1.00 0.00 C ATOM 659 CG ASN A 46 22.576 -10.381 -11.135 1.00 0.00 C ATOM 660 OD1 ASN A 46 22.872 -9.340 -10.548 1.00 0.00 O ATOM 661 ND2 ASN A 46 23.446 -11.060 -11.874 1.00 0.00 N ATOM 0 H ASN A 46 18.295 -9.573 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 46 20.352 -8.973 -11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.965 -11.230 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.120 -11.870 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.404 -10.723 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 46 23.156 -11.918 -12.343 1.00 0.00 H new ATOM 668 N GLY A 47 18.917 -9.672 -13.624 1.00 0.00 N ATOM 669 CA GLY A 47 18.786 -9.618 -15.068 1.00 0.00 C ATOM 670 C GLY A 47 18.853 -10.991 -15.707 1.00 0.00 C ATOM 671 O GLY A 47 18.677 -11.128 -16.917 1.00 0.00 O ATOM 0 H GLY A 47 18.056 -9.489 -13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.838 -9.146 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.577 -8.990 -15.478 1.00 0.00 H new ATOM 675 N GLU A 48 19.109 -12.010 -14.893 1.00 0.00 N ATOM 676 CA GLU A 48 19.201 -13.378 -15.387 1.00 0.00 C ATOM 677 C GLU A 48 17.961 -13.750 -16.195 1.00 0.00 C ATOM 678 O GLU A 48 17.998 -14.650 -17.035 1.00 0.00 O ATOM 679 CB GLU A 48 19.376 -14.355 -14.223 1.00 0.00 C ATOM 680 CG GLU A 48 20.031 -15.667 -14.621 1.00 0.00 C ATOM 681 CD GLU A 48 20.270 -16.583 -13.437 1.00 0.00 C ATOM 682 OE1 GLU A 48 19.356 -16.717 -12.596 1.00 0.00 O ATOM 683 OE2 GLU A 48 21.370 -17.166 -13.351 1.00 0.00 O ATOM 0 H GLU A 48 19.256 -11.914 -13.888 1.00 0.00 H new ATOM 0 HA GLU A 48 20.072 -13.442 -16.039 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.977 -13.879 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.400 -14.564 -13.786 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.400 -16.177 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.981 -15.460 -15.113 1.00 0.00 H new ATOM 690 N THR A 49 16.861 -13.049 -15.935 1.00 0.00 N ATOM 691 CA THR A 49 15.609 -13.305 -16.636 1.00 0.00 C ATOM 692 C THR A 49 15.205 -12.111 -17.493 1.00 0.00 C ATOM 693 O THR A 49 15.544 -10.969 -17.183 1.00 0.00 O ATOM 694 CB THR A 49 14.469 -13.624 -15.650 1.00 0.00 C ATOM 695 OG1 THR A 49 13.286 -13.987 -16.370 1.00 0.00 O ATOM 696 CG2 THR A 49 14.178 -12.429 -14.754 1.00 0.00 C ATOM 0 H THR A 49 16.812 -12.300 -15.244 1.00 0.00 H new ATOM 0 HA THR A 49 15.777 -14.169 -17.278 1.00 0.00 H new ATOM 0 HB THR A 49 14.783 -14.459 -15.024 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.567 -14.190 -15.736 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.370 -12.678 -14.066 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.072 -12.174 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.883 -11.578 -15.367 1.00 0.00 H new ATOM 704 N ASP A 50 14.477 -12.382 -18.571 1.00 0.00 N ATOM 705 CA ASP A 50 14.025 -11.330 -19.473 1.00 0.00 C ATOM 706 C ASP A 50 13.269 -10.247 -18.709 1.00 0.00 C ATOM 707 O ASP A 50 12.399 -10.545 -17.892 1.00 0.00 O ATOM 708 CB ASP A 50 13.133 -11.915 -20.568 1.00 0.00 C ATOM 709 CG ASP A 50 13.735 -13.152 -21.206 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.747 -13.016 -21.925 1.00 0.00 O ATOM 711 OD2 ASP A 50 13.195 -14.256 -20.985 1.00 0.00 O ATOM 0 H ASP A 50 14.187 -13.322 -18.841 1.00 0.00 H new ATOM 0 HA ASP A 50 14.904 -10.879 -19.934 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.160 -12.165 -20.145 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.963 -11.160 -21.336 1.00 0.00 H new ATOM 716 N GLU A 51 13.609 -8.991 -18.980 1.00 0.00 N ATOM 717 CA GLU A 51 12.964 -7.865 -18.316 1.00 0.00 C ATOM 718 C GLU A 51 11.495 -7.765 -18.718 1.00 0.00 C ATOM 719 O GLU A 51 10.686 -7.163 -18.012 1.00 0.00 O ATOM 720 CB GLU A 51 13.687 -6.560 -18.657 1.00 0.00 C ATOM 721 CG GLU A 51 15.065 -6.445 -18.027 1.00 0.00 C ATOM 722 CD GLU A 51 15.644 -5.049 -18.141 1.00 0.00 C ATOM 723 OE1 GLU A 51 15.971 -4.632 -19.271 1.00 0.00 O ATOM 724 OE2 GLU A 51 15.770 -4.372 -17.098 1.00 0.00 O ATOM 0 H GLU A 51 14.327 -8.728 -19.655 1.00 0.00 H new ATOM 0 HA GLU A 51 13.018 -8.032 -17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.784 -6.480 -19.740 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.076 -5.719 -18.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.004 -6.724 -16.975 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.740 -7.154 -18.506 1.00 0.00 H new ATOM 731 N SER A 52 11.158 -8.361 -19.858 1.00 0.00 N ATOM 732 CA SER A 52 9.788 -8.336 -20.357 1.00 0.00 C ATOM 733 C SER A 52 8.988 -9.512 -19.806 1.00 0.00 C ATOM 734 O SER A 52 7.973 -9.909 -20.379 1.00 0.00 O ATOM 735 CB SER A 52 9.780 -8.371 -21.887 1.00 0.00 C ATOM 736 OG SER A 52 10.700 -9.328 -22.380 1.00 0.00 O ATOM 0 H SER A 52 11.815 -8.867 -20.453 1.00 0.00 H new ATOM 0 HA SER A 52 9.321 -7.411 -20.019 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.778 -8.609 -22.243 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.032 -7.385 -22.278 1.00 0.00 H new ATOM 0 HG SER A 52 10.674 -9.332 -23.360 1.00 0.00 H new ATOM 742 N SER A 53 9.452 -10.065 -18.690 1.00 0.00 N ATOM 743 CA SER A 53 8.783 -11.198 -18.063 1.00 0.00 C ATOM 744 C SER A 53 8.047 -10.763 -16.799 1.00 0.00 C ATOM 745 O SER A 53 6.846 -10.992 -16.656 1.00 0.00 O ATOM 746 CB SER A 53 9.797 -12.293 -17.725 1.00 0.00 C ATOM 747 OG SER A 53 9.161 -13.410 -17.128 1.00 0.00 O ATOM 0 H SER A 53 10.289 -9.746 -18.202 1.00 0.00 H new ATOM 0 HA SER A 53 8.053 -11.594 -18.769 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.314 -12.607 -18.632 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.553 -11.896 -17.048 1.00 0.00 H new ATOM 0 HG SER A 53 9.830 -14.096 -16.923 1.00 0.00 H new ATOM 753 N VAL A 54 8.777 -10.133 -15.884 1.00 0.00 N ATOM 754 CA VAL A 54 8.195 -9.664 -14.632 1.00 0.00 C ATOM 755 C VAL A 54 6.757 -9.200 -14.835 1.00 0.00 C ATOM 756 O VAL A 54 6.480 -8.260 -15.579 1.00 0.00 O ATOM 757 CB VAL A 54 9.016 -8.507 -14.031 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.336 -9.021 -13.478 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.250 -7.423 -15.071 1.00 0.00 C ATOM 0 H VAL A 54 9.772 -9.936 -15.986 1.00 0.00 H new ATOM 0 HA VAL A 54 8.208 -10.507 -13.941 1.00 0.00 H new ATOM 0 HB VAL A 54 8.449 -8.071 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.903 -8.190 -13.058 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.142 -9.759 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.911 -9.483 -14.280 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.831 -6.614 -14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.796 -7.842 -15.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.291 -7.035 -15.414 1.00 0.00 H new ATOM 769 N PRO A 55 5.817 -9.875 -14.156 1.00 0.00 N ATOM 770 CA PRO A 55 4.390 -9.550 -14.244 1.00 0.00 C ATOM 771 C PRO A 55 4.057 -8.220 -13.576 1.00 0.00 C ATOM 772 O PRO A 55 4.807 -7.735 -12.730 1.00 0.00 O ATOM 773 CB PRO A 55 3.717 -10.705 -13.500 1.00 0.00 C ATOM 774 CG PRO A 55 4.755 -11.206 -12.557 1.00 0.00 C ATOM 775 CD PRO A 55 6.075 -11.007 -13.250 1.00 0.00 C ATOM 0 HA PRO A 55 4.059 -9.440 -15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.828 -10.368 -12.967 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.398 -11.487 -14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.723 -10.659 -11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.593 -12.258 -12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.871 -10.781 -12.541 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.380 -11.899 -13.798 1.00 0.00 H new ATOM 783 N GLU A 56 2.927 -7.636 -13.963 1.00 0.00 N ATOM 784 CA GLU A 56 2.496 -6.361 -13.401 1.00 0.00 C ATOM 785 C GLU A 56 1.104 -6.481 -12.787 1.00 0.00 C ATOM 786 O GLU A 56 0.405 -5.483 -12.605 1.00 0.00 O ATOM 787 CB GLU A 56 2.497 -5.276 -14.480 1.00 0.00 C ATOM 788 CG GLU A 56 1.287 -5.327 -15.396 1.00 0.00 C ATOM 789 CD GLU A 56 1.325 -4.261 -16.474 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.416 -4.022 -17.033 1.00 0.00 O ATOM 791 OE2 GLU A 56 0.266 -3.664 -16.757 1.00 0.00 O ATOM 0 H GLU A 56 2.294 -8.025 -14.662 1.00 0.00 H new ATOM 0 HA GLU A 56 3.199 -6.083 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.538 -4.298 -14.000 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.401 -5.374 -15.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.232 -6.310 -15.864 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.381 -5.205 -14.802 1.00 0.00 H new ATOM 798 N LEU A 57 0.707 -7.708 -12.470 1.00 0.00 N ATOM 799 CA LEU A 57 -0.601 -7.960 -11.876 1.00 0.00 C ATOM 800 C LEU A 57 -0.475 -8.253 -10.384 1.00 0.00 C ATOM 801 O LEU A 57 -1.379 -8.827 -9.775 1.00 0.00 O ATOM 802 CB LEU A 57 -1.287 -9.132 -12.581 1.00 0.00 C ATOM 803 CG LEU A 57 -1.693 -8.894 -14.036 1.00 0.00 C ATOM 804 CD1 LEU A 57 -2.293 -7.507 -14.204 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.497 -9.075 -14.960 1.00 0.00 C ATOM 0 H LEU A 57 1.272 -8.545 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.208 -7.063 -12.002 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.618 -9.992 -12.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.179 -9.399 -12.015 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.451 -9.630 -14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.576 -7.357 -15.246 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.176 -7.413 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.558 -6.755 -13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.804 -8.902 -15.991 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.283 -8.363 -14.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.112 -10.090 -14.862 1.00 0.00 H new ATOM 817 N TYR A 58 0.650 -7.854 -9.801 1.00 0.00 N ATOM 818 CA TYR A 58 0.894 -8.075 -8.381 1.00 0.00 C ATOM 819 C TYR A 58 -0.272 -7.561 -7.542 1.00 0.00 C ATOM 820 O TYR A 58 -0.467 -6.355 -7.401 1.00 0.00 O ATOM 821 CB TYR A 58 2.189 -7.383 -7.952 1.00 0.00 C ATOM 822 CG TYR A 58 3.406 -7.846 -8.721 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.820 -9.171 -8.673 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.142 -6.958 -9.496 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.932 -9.598 -9.373 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.254 -7.376 -10.201 1.00 0.00 C ATOM 827 CZ TYR A 58 5.645 -8.697 -10.135 1.00 0.00 C ATOM 828 OH TYR A 58 6.752 -9.119 -10.836 1.00 0.00 O ATOM 0 H TYR A 58 1.407 -7.376 -10.290 1.00 0.00 H new ATOM 0 HA TYR A 58 0.991 -9.148 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.076 -6.307 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.352 -7.561 -6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.263 -9.880 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.839 -5.923 -9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.241 -10.632 -9.324 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.814 -6.673 -10.800 1.00 0.00 H new ATOM 0 HH TYR A 58 7.139 -8.362 -11.322 1.00 0.00 H new ATOM 838 N GLY A 59 -1.045 -8.489 -6.984 1.00 0.00 N ATOM 839 CA GLY A 59 -2.182 -8.112 -6.165 1.00 0.00 C ATOM 840 C GLY A 59 -1.785 -7.246 -4.986 1.00 0.00 C ATOM 841 O GLY A 59 -1.254 -7.743 -3.992 1.00 0.00 O ATOM 0 H GLY A 59 -0.904 -9.494 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.906 -7.576 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.678 -9.012 -5.800 1.00 0.00 H new ATOM 845 N TYR A 60 -2.042 -5.947 -5.095 1.00 0.00 N ATOM 846 CA TYR A 60 -1.704 -5.009 -4.031 1.00 0.00 C ATOM 847 C TYR A 60 -2.894 -4.788 -3.103 1.00 0.00 C ATOM 848 O TYR A 60 -3.952 -4.328 -3.531 1.00 0.00 O ATOM 849 CB TYR A 60 -1.251 -3.674 -4.625 1.00 0.00 C ATOM 850 CG TYR A 60 -0.092 -3.802 -5.587 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.214 -3.906 -5.124 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.303 -3.818 -6.961 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.276 -4.022 -6.000 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.753 -3.936 -7.844 1.00 0.00 C ATOM 855 CZ TYR A 60 2.040 -4.037 -7.359 1.00 0.00 C ATOM 856 OH TYR A 60 3.095 -4.153 -8.235 1.00 0.00 O ATOM 0 H TYR A 60 -2.483 -5.520 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.887 -5.436 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.092 -3.212 -5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.967 -3.003 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.402 -3.896 -4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.309 -3.737 -7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.285 -4.100 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.572 -3.949 -8.909 1.00 0.00 H new ATOM 0 HH TYR A 60 2.758 -4.149 -9.155 1.00 0.00 H new ATOM 866 N GLU A 61 -2.711 -5.118 -1.828 1.00 0.00 N ATOM 867 CA GLU A 61 -3.769 -4.956 -0.838 1.00 0.00 C ATOM 868 C GLU A 61 -3.437 -3.826 0.133 1.00 0.00 C ATOM 869 O GLU A 61 -2.380 -3.825 0.764 1.00 0.00 O ATOM 870 CB GLU A 61 -3.981 -6.260 -0.066 1.00 0.00 C ATOM 871 CG GLU A 61 -4.849 -6.101 1.171 1.00 0.00 C ATOM 872 CD GLU A 61 -5.512 -7.399 1.588 1.00 0.00 C ATOM 873 OE1 GLU A 61 -5.664 -8.291 0.727 1.00 0.00 O ATOM 874 OE2 GLU A 61 -5.879 -7.523 2.775 1.00 0.00 O ATOM 0 H GLU A 61 -1.841 -5.499 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.688 -4.701 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.439 -6.994 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.011 -6.659 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.238 -5.728 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.616 -5.351 0.978 1.00 0.00 H new ATOM 881 N VAL A 62 -4.348 -2.864 0.246 1.00 0.00 N ATOM 882 CA VAL A 62 -4.153 -1.729 1.140 1.00 0.00 C ATOM 883 C VAL A 62 -4.686 -2.030 2.536 1.00 0.00 C ATOM 884 O VAL A 62 -5.874 -2.304 2.713 1.00 0.00 O ATOM 885 CB VAL A 62 -4.846 -0.464 0.599 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.577 0.724 1.511 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.387 -0.171 -0.821 1.00 0.00 C ATOM 0 H VAL A 62 -5.228 -2.848 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.079 -1.551 1.196 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.921 -0.640 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.074 1.608 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.960 0.511 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.504 0.905 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.887 0.726 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.308 -0.015 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.637 -1.014 -1.465 1.00 0.00 H new ATOM 897 N LEU A 63 -3.802 -1.977 3.525 1.00 0.00 N ATOM 898 CA LEU A 63 -4.183 -2.244 4.908 1.00 0.00 C ATOM 899 C LEU A 63 -4.097 -0.975 5.751 1.00 0.00 C ATOM 900 O LEU A 63 -3.035 -0.361 5.859 1.00 0.00 O ATOM 901 CB LEU A 63 -3.286 -3.329 5.505 1.00 0.00 C ATOM 902 CG LEU A 63 -3.064 -4.569 4.639 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.832 -5.330 5.101 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.292 -5.467 4.670 1.00 0.00 C ATOM 0 H LEU A 63 -2.816 -1.752 3.396 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.216 -2.592 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.315 -2.887 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.717 -3.646 6.455 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.900 -4.246 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.691 -6.209 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.956 -4.685 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.964 -5.642 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.117 -6.345 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.487 -5.782 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.153 -4.919 4.289 1.00 0.00 H new ATOM 916 N ILE A 64 -5.220 -0.590 6.347 1.00 0.00 N ATOM 917 CA ILE A 64 -5.270 0.603 7.183 1.00 0.00 C ATOM 918 C ILE A 64 -5.703 0.260 8.605 1.00 0.00 C ATOM 919 O ILE A 64 -6.426 -0.710 8.828 1.00 0.00 O ATOM 920 CB ILE A 64 -6.235 1.656 6.605 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.677 1.149 6.671 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.852 1.994 5.172 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.707 2.220 6.391 1.00 0.00 C ATOM 0 H ILE A 64 -6.107 -1.087 6.267 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.262 1.017 7.202 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.161 2.563 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.802 0.339 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.861 0.729 7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.543 2.739 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.838 2.392 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.901 1.093 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.706 1.789 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.609 3.020 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.549 2.624 5.391 1.00 0.00 H new ATOM 935 N SER A 65 -5.256 1.065 9.564 1.00 0.00 N ATOM 936 CA SER A 65 -5.595 0.846 10.965 1.00 0.00 C ATOM 937 C SER A 65 -5.351 2.108 11.787 1.00 0.00 C ATOM 938 O SER A 65 -4.308 2.751 11.663 1.00 0.00 O ATOM 939 CB SER A 65 -4.775 -0.313 11.535 1.00 0.00 C ATOM 940 OG SER A 65 -5.086 -0.535 12.900 1.00 0.00 O ATOM 0 H SER A 65 -4.658 1.874 9.396 1.00 0.00 H new ATOM 0 HA SER A 65 -6.654 0.595 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.973 -1.219 10.962 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.712 -0.096 11.432 1.00 0.00 H new ATOM 0 HG SER A 65 -5.215 -1.494 13.054 1.00 0.00 H new ATOM 946 N SER A 66 -6.321 2.457 12.626 1.00 0.00 N ATOM 947 CA SER A 66 -6.214 3.645 13.466 1.00 0.00 C ATOM 948 C SER A 66 -6.099 3.260 14.938 1.00 0.00 C ATOM 949 O SER A 66 -5.770 4.091 15.785 1.00 0.00 O ATOM 950 CB SER A 66 -7.427 4.553 13.257 1.00 0.00 C ATOM 951 OG SER A 66 -7.695 5.320 14.418 1.00 0.00 O ATOM 0 H SER A 66 -7.189 1.935 12.742 1.00 0.00 H new ATOM 0 HA SER A 66 -5.312 4.185 13.178 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.247 5.217 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.299 3.949 13.007 1.00 0.00 H new ATOM 0 HG SER A 66 -6.890 5.363 14.975 1.00 0.00 H new ATOM 957 N THR A 67 -6.374 1.994 15.236 1.00 0.00 N ATOM 958 CA THR A 67 -6.303 1.498 16.604 1.00 0.00 C ATOM 959 C THR A 67 -4.856 1.351 17.062 1.00 0.00 C ATOM 960 O THR A 67 -4.528 1.630 18.214 1.00 0.00 O ATOM 961 CB THR A 67 -7.015 0.139 16.747 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.347 0.228 16.229 1.00 0.00 O ATOM 963 CG2 THR A 67 -7.059 -0.298 18.203 1.00 0.00 C ATOM 0 H THR A 67 -6.648 1.293 14.547 1.00 0.00 H new ATOM 0 HA THR A 67 -6.807 2.232 17.232 1.00 0.00 H new ATOM 0 HB THR A 67 -6.454 -0.603 16.179 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.793 -0.640 16.322 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.566 -1.260 18.279 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.043 -0.393 18.585 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.600 0.445 18.790 1.00 0.00 H new ATOM 971 N GLY A 68 -3.994 0.911 16.150 1.00 0.00 N ATOM 972 CA GLY A 68 -2.592 0.736 16.480 1.00 0.00 C ATOM 973 C GLY A 68 -1.802 0.115 15.345 1.00 0.00 C ATOM 974 O GLY A 68 -2.155 -0.954 14.844 1.00 0.00 O ATOM 0 H GLY A 68 -4.242 0.673 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.158 1.703 16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.506 0.106 17.365 1.00 0.00 H new ATOM 978 N LYS A 69 -0.731 0.785 14.934 1.00 0.00 N ATOM 979 CA LYS A 69 0.111 0.294 13.850 1.00 0.00 C ATOM 980 C LYS A 69 0.638 -1.103 14.161 1.00 0.00 C ATOM 981 O LYS A 69 0.963 -1.870 13.255 1.00 0.00 O ATOM 982 CB LYS A 69 1.282 1.251 13.613 1.00 0.00 C ATOM 983 CG LYS A 69 2.274 1.295 14.761 1.00 0.00 C ATOM 984 CD LYS A 69 3.028 2.614 14.797 1.00 0.00 C ATOM 985 CE LYS A 69 3.894 2.794 13.560 1.00 0.00 C ATOM 986 NZ LYS A 69 5.229 2.152 13.719 1.00 0.00 N ATOM 0 H LYS A 69 -0.425 1.671 15.336 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.496 0.242 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.805 0.954 12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.891 2.254 13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.747 1.150 15.704 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.982 0.473 14.662 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.318 3.438 14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.653 2.653 15.689 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.386 2.366 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.024 3.857 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.789 2.297 12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.725 2.577 14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.106 1.133 13.885 1.00 0.00 H new ATOM 1000 N ASP A 70 0.718 -1.428 15.447 1.00 0.00 N ATOM 1001 CA ASP A 70 1.203 -2.734 15.877 1.00 0.00 C ATOM 1002 C ASP A 70 0.046 -3.628 16.311 1.00 0.00 C ATOM 1003 O ASP A 70 0.189 -4.453 17.212 1.00 0.00 O ATOM 1004 CB ASP A 70 2.202 -2.578 17.025 1.00 0.00 C ATOM 1005 CG ASP A 70 3.328 -1.621 16.687 1.00 0.00 C ATOM 1006 OD1 ASP A 70 4.038 -1.869 15.690 1.00 0.00 O ATOM 1007 OD2 ASP A 70 3.500 -0.624 17.420 1.00 0.00 O ATOM 0 H ASP A 70 0.453 -0.805 16.210 1.00 0.00 H new ATOM 0 HA ASP A 70 1.704 -3.205 15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.679 -2.220 17.912 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.620 -3.553 17.274 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.103 -3.456 15.663 1.00 0.00 N ATOM 1013 CA GLY A 71 -2.269 -4.253 15.997 1.00 0.00 C ATOM 1014 C GLY A 71 -2.918 -4.871 14.775 1.00 0.00 C ATOM 1015 O GLY A 71 -2.237 -5.220 13.810 1.00 0.00 O ATOM 0 H GLY A 71 -1.247 -2.779 14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.979 -5.043 16.689 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.997 -3.628 16.514 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.239 -5.010 14.815 1.00 0.00 N ATOM 1020 CA LYS A 72 -4.981 -5.591 13.702 1.00 0.00 C ATOM 1021 C LYS A 72 -5.223 -4.555 12.609 1.00 0.00 C ATOM 1022 O LYS A 72 -5.362 -3.364 12.889 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.318 -6.152 14.193 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.349 -6.318 13.090 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.530 -7.156 13.552 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.460 -6.359 14.454 1.00 0.00 C ATOM 1027 NZ LYS A 72 -9.053 -6.446 15.884 1.00 0.00 N ATOM 0 H LYS A 72 -4.818 -4.728 15.606 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.385 -6.402 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.145 -7.119 14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.721 -5.490 14.959 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.701 -5.338 12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.884 -6.789 12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.083 -7.516 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.168 -8.034 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.464 -5.315 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.479 -6.729 14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.899 -6.550 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.431 -7.269 16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.544 -5.580 16.154 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.273 -5.016 11.364 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.497 -4.129 10.229 1.00 0.00 C ATOM 1043 C TYR A 73 -6.724 -4.562 9.433 1.00 0.00 C ATOM 1044 O TYR A 73 -7.193 -5.694 9.558 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.267 -4.109 9.320 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.252 -3.053 9.698 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.730 -2.992 10.984 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.818 -2.115 8.769 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.803 -2.028 11.333 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.891 -1.149 9.109 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.387 -1.110 10.392 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.464 -0.148 10.735 1.00 0.00 O ATOM 0 H TYR A 73 -5.161 -5.999 11.115 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.672 -3.125 10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.788 -5.088 9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.588 -3.941 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.054 -3.710 11.723 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.212 -2.142 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.407 -1.994 12.337 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.563 -0.429 8.374 1.00 0.00 H new ATOM 0 HH TYR A 73 0.410 -0.569 10.875 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.240 -3.653 8.613 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.412 -3.938 7.793 1.00 0.00 C ATOM 1064 C LYS A 74 -8.145 -3.608 6.328 1.00 0.00 C ATOM 1065 O LYS A 74 -7.416 -2.665 6.018 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.618 -3.141 8.295 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.614 -2.792 7.203 1.00 0.00 C ATOM 1068 CD LYS A 74 -11.851 -2.118 7.771 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.639 -1.395 6.689 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.754 -0.590 5.804 1.00 0.00 N ATOM 0 H LYS A 74 -6.865 -2.712 8.498 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.630 -5.003 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.127 -3.716 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.266 -2.221 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.141 -2.133 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.904 -3.698 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.486 -2.864 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.557 -1.408 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.186 -2.123 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.379 -0.743 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.278 0.234 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.925 -0.267 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.440 -1.174 5.003 1.00 0.00 H new ATOM 1084 N SER A 75 -8.739 -4.389 5.432 1.00 0.00 N ATOM 1085 CA SER A 75 -8.564 -4.180 4.000 1.00 0.00 C ATOM 1086 C SER A 75 -9.597 -3.195 3.463 1.00 0.00 C ATOM 1087 O SER A 75 -10.793 -3.330 3.721 1.00 0.00 O ATOM 1088 CB SER A 75 -8.674 -5.510 3.252 1.00 0.00 C ATOM 1089 OG SER A 75 -8.016 -6.548 3.957 1.00 0.00 O ATOM 0 H SER A 75 -9.346 -5.173 5.673 1.00 0.00 H new ATOM 0 HA SER A 75 -7.571 -3.761 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.724 -5.768 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.239 -5.409 2.258 1.00 0.00 H new ATOM 0 HG SER A 75 -7.285 -6.903 3.409 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.127 -2.202 2.716 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.009 -1.193 2.141 1.00 0.00 C ATOM 1097 C VAL A 76 -10.121 -1.357 0.630 1.00 0.00 C ATOM 1098 O VAL A 76 -11.123 -0.975 0.026 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.513 0.231 2.456 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.456 0.456 3.960 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.153 0.474 1.820 1.00 0.00 C ATOM 0 H VAL A 76 -8.140 -2.074 2.494 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.991 -1.337 2.593 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.219 0.945 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.103 1.467 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.451 0.326 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.772 -0.264 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.818 1.485 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.434 -0.246 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.231 0.357 0.739 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.086 -1.929 0.024 1.00 0.00 N ATOM 1112 CA TYR A 77 -9.067 -2.142 -1.418 1.00 0.00 C ATOM 1113 C TYR A 77 -8.090 -3.253 -1.791 1.00 0.00 C ATOM 1114 O TYR A 77 -7.132 -3.524 -1.066 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.686 -0.849 -2.141 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.375 -1.045 -3.608 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.186 -1.638 -4.013 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.271 -0.637 -4.589 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.897 -1.818 -5.352 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.991 -0.815 -5.930 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.803 -1.405 -6.306 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.520 -1.584 -7.641 1.00 0.00 O ATOM 0 H TYR A 77 -8.250 -2.253 0.509 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.068 -2.443 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.503 -0.134 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.818 -0.410 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.475 -1.964 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.202 -0.173 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.967 -2.279 -5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.699 -0.494 -6.680 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.261 -1.240 -8.182 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.339 -3.894 -2.929 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.482 -4.975 -3.401 1.00 0.00 C ATOM 1134 C VAL A 78 -7.535 -5.094 -4.920 1.00 0.00 C ATOM 1135 O VAL A 78 -8.559 -5.470 -5.488 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.884 -6.324 -2.776 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.112 -7.464 -3.424 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.657 -6.303 -1.272 1.00 0.00 C ATOM 0 H VAL A 78 -9.127 -3.683 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.465 -4.730 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.946 -6.487 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.409 -8.409 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.330 -7.490 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.043 -7.310 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.946 -7.264 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.603 -6.118 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.259 -5.512 -0.824 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.422 -4.772 -5.573 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.363 -4.851 -7.021 1.00 0.00 C ATOM 1150 C GLY A 79 -4.944 -4.982 -7.537 1.00 0.00 C ATOM 1151 O GLY A 79 -4.060 -5.457 -6.825 1.00 0.00 O ATOM 0 H GLY A 79 -5.561 -4.458 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.950 -5.705 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.821 -3.960 -7.449 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.726 -4.561 -8.779 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.404 -4.637 -9.390 1.00 0.00 C ATOM 1157 C GLU A 80 -2.845 -3.241 -9.652 1.00 0.00 C ATOM 1158 O GLU A 80 -1.649 -3.000 -9.492 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.466 -5.428 -10.698 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.077 -6.810 -10.544 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.492 -6.766 -10.001 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.375 -6.213 -10.690 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.717 -7.284 -8.887 1.00 0.00 O ATOM 0 H GLU A 80 -5.447 -4.164 -9.381 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.740 -5.151 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.046 -4.863 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.458 -5.528 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.079 -7.312 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.454 -7.406 -9.877 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.720 -2.326 -10.058 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.314 -0.955 -10.344 1.00 0.00 C ATOM 1172 C GLU A 81 -2.358 -0.436 -9.274 1.00 0.00 C ATOM 1173 O GLU A 81 -2.507 -0.742 -8.090 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.540 -0.045 -10.433 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.167 0.000 -11.817 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.230 -1.064 -12.010 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -5.949 -2.244 -11.713 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.343 -0.716 -12.458 1.00 0.00 O ATOM 0 H GLU A 81 -4.714 -2.509 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.796 -0.949 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.287 -0.385 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.254 0.965 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.608 0.983 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.388 -0.129 -12.569 1.00 0.00 H new ATOM 1185 N THR A 82 -1.374 0.351 -9.699 1.00 0.00 N ATOM 1186 CA THR A 82 -0.392 0.911 -8.779 1.00 0.00 C ATOM 1187 C THR A 82 -0.940 2.149 -8.078 1.00 0.00 C ATOM 1188 O THR A 82 -0.393 2.595 -7.070 1.00 0.00 O ATOM 1189 CB THR A 82 0.912 1.283 -9.509 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.620 2.085 -10.658 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.668 0.033 -9.936 1.00 0.00 C ATOM 0 H THR A 82 -1.236 0.615 -10.675 1.00 0.00 H new ATOM 0 HA THR A 82 -0.178 0.142 -8.037 1.00 0.00 H new ATOM 0 HB THR A 82 1.538 1.851 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.455 2.318 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.585 0.320 -10.450 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.915 -0.561 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.045 -0.557 -10.609 1.00 0.00 H new ATOM 1199 N ASN A 83 -2.022 2.699 -8.618 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.644 3.887 -8.043 1.00 0.00 C ATOM 1201 C ASN A 83 -4.138 3.668 -7.827 1.00 0.00 C ATOM 1202 O ASN A 83 -4.858 3.276 -8.746 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.420 5.096 -8.954 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.519 6.133 -8.817 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.434 6.196 -9.639 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.432 6.953 -7.776 1.00 0.00 N ATOM 0 H ASN A 83 -2.487 2.342 -9.453 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.180 4.078 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.460 5.554 -8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.366 4.762 -9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.141 7.672 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.656 6.864 -7.120 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.597 3.925 -6.607 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.006 3.758 -6.271 1.00 0.00 C ATOM 1215 C ILE A 84 -6.460 4.814 -5.269 1.00 0.00 C ATOM 1216 O ILE A 84 -5.641 5.476 -4.631 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.283 2.360 -5.687 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.714 2.252 -4.271 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.691 1.284 -6.586 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.709 2.615 -3.191 1.00 0.00 C ATOM 0 H ILE A 84 -4.014 4.249 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.568 3.874 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.362 2.211 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.365 1.233 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.845 2.904 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.895 0.302 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.140 1.350 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.614 1.429 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.237 2.516 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.039 3.644 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.568 1.947 -3.249 1.00 0.00 H new ATOM 1232 N THR A 85 -7.774 4.966 -5.133 1.00 0.00 N ATOM 1233 CA THR A 85 -8.339 5.940 -4.208 1.00 0.00 C ATOM 1234 C THR A 85 -9.134 5.253 -3.103 1.00 0.00 C ATOM 1235 O THR A 85 -9.960 4.379 -3.369 1.00 0.00 O ATOM 1236 CB THR A 85 -9.255 6.941 -4.937 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.465 7.919 -5.622 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.190 7.633 -3.956 1.00 0.00 C ATOM 0 H THR A 85 -8.467 4.427 -5.652 1.00 0.00 H new ATOM 0 HA THR A 85 -7.501 6.480 -3.767 1.00 0.00 H new ATOM 0 HB THR A 85 -9.856 6.389 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.055 8.551 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.827 8.335 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.811 6.888 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.603 8.172 -3.212 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.880 5.653 -1.862 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.572 5.076 -0.715 1.00 0.00 C ATOM 1248 C LEU A 86 -10.962 5.685 -0.555 1.00 0.00 C ATOM 1249 O LEU A 86 -11.187 6.842 -0.906 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.757 5.295 0.561 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.270 4.953 0.474 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.531 5.466 1.701 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -7.075 3.451 0.322 1.00 0.00 C ATOM 0 H LEU A 86 -8.200 6.375 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.682 4.006 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.852 6.340 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.200 4.699 1.358 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.856 5.444 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.474 5.213 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.641 6.548 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.948 5.004 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.010 3.227 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.505 2.939 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.570 3.110 -0.587 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.889 4.897 -0.021 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.257 5.359 0.187 1.00 0.00 C ATOM 1267 C ASN A 87 -13.826 4.807 1.490 1.00 0.00 C ATOM 1268 O ASN A 87 -13.281 3.865 2.067 1.00 0.00 O ATOM 1269 CB ASN A 87 -14.143 4.940 -0.988 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.375 4.860 -2.292 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -12.704 3.865 -2.570 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.469 5.910 -3.100 1.00 0.00 N ATOM 0 H ASN A 87 -11.718 3.936 0.276 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.241 6.447 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -14.591 3.970 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.961 5.652 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.974 5.913 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -14.037 6.713 -2.829 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.923 5.398 1.948 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.567 4.965 3.183 1.00 0.00 C ATOM 1281 C ASP A 88 -14.599 5.048 4.359 1.00 0.00 C ATOM 1282 O ASP A 88 -14.498 4.118 5.160 1.00 0.00 O ATOM 1283 CB ASP A 88 -16.089 3.535 3.035 1.00 0.00 C ATOM 1284 CG ASP A 88 -17.191 3.424 2.000 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -18.334 3.825 2.304 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -16.910 2.938 0.885 1.00 0.00 O ATOM 0 H ASP A 88 -15.386 6.179 1.483 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.406 5.632 3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.265 2.878 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.463 3.186 3.998 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.889 6.166 4.456 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.928 6.371 5.534 1.00 0.00 C ATOM 1293 C LEU A 89 -13.476 7.341 6.576 1.00 0.00 C ATOM 1294 O LEU A 89 -14.598 7.833 6.452 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.607 6.900 4.972 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.901 6.001 3.958 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.484 6.493 3.703 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.887 4.558 4.443 1.00 0.00 C ATOM 0 H LEU A 89 -13.960 6.945 3.801 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.751 5.410 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.796 7.865 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.927 7.079 5.805 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.453 6.043 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.997 5.840 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.517 7.510 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.922 6.482 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.380 3.932 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.360 4.499 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.911 4.208 4.573 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.676 7.613 7.601 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.079 8.527 8.664 1.00 0.00 C ATOM 1312 C LYS A 90 -12.288 9.830 8.589 1.00 0.00 C ATOM 1313 O LYS A 90 -11.063 9.849 8.709 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.875 7.873 10.032 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.393 8.709 11.189 1.00 0.00 C ATOM 1316 CD LYS A 90 -14.911 8.696 11.250 1.00 0.00 C ATOM 1317 CE LYS A 90 -15.428 7.512 12.053 1.00 0.00 C ATOM 1318 NZ LYS A 90 -16.771 7.781 12.637 1.00 0.00 N ATOM 0 H LYS A 90 -11.745 7.214 7.719 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.137 8.755 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.376 6.905 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.812 7.683 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.987 8.327 12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.041 9.735 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.266 9.624 11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.316 8.656 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.481 6.633 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.724 7.281 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.088 6.950 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.716 8.604 13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.449 7.977 11.873 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.004 10.946 8.387 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.390 12.274 8.293 1.00 0.00 C ATOM 1334 C PRO A 91 -11.838 12.753 9.632 1.00 0.00 C ATOM 1335 O PRO A 91 -12.183 12.215 10.684 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.547 13.169 7.841 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.774 12.468 8.312 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.468 10.998 8.234 1.00 0.00 C ATOM 0 HA PRO A 91 -11.537 12.282 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.469 14.166 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.552 13.292 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.023 12.761 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.632 12.722 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.974 10.440 9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.788 10.571 7.284 1.00 0.00 H new ATOM 1346 N ALA A 92 -10.981 13.767 9.584 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.384 14.320 10.794 1.00 0.00 C ATOM 1348 C ALA A 92 -9.717 13.229 11.625 1.00 0.00 C ATOM 1349 O ALA A 92 -9.733 13.275 12.854 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.437 15.044 11.619 1.00 0.00 C ATOM 0 H ALA A 92 -10.684 14.222 8.721 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.617 15.035 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.977 15.452 12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.865 15.856 11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.224 14.344 11.899 1.00 0.00 H new ATOM 1356 N MET A 93 -9.132 12.248 10.945 1.00 0.00 N ATOM 1357 CA MET A 93 -8.459 11.145 11.622 1.00 0.00 C ATOM 1358 C MET A 93 -7.023 10.999 11.128 1.00 0.00 C ATOM 1359 O MET A 93 -6.598 11.703 10.211 1.00 0.00 O ATOM 1360 CB MET A 93 -9.223 9.839 11.398 1.00 0.00 C ATOM 1361 CG MET A 93 -10.297 9.576 12.441 1.00 0.00 C ATOM 1362 SD MET A 93 -9.680 8.641 13.853 1.00 0.00 S ATOM 1363 CE MET A 93 -10.259 6.995 13.449 1.00 0.00 C ATOM 0 H MET A 93 -9.110 12.194 9.927 1.00 0.00 H new ATOM 0 HA MET A 93 -8.437 11.366 12.689 1.00 0.00 H new ATOM 0 HB2 MET A 93 -9.685 9.863 10.411 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.516 9.009 11.399 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.701 10.527 12.788 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.120 9.030 11.980 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.064 6.325 14.286 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.330 7.025 13.250 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.735 6.632 12.565 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.281 10.084 11.741 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.893 9.845 11.363 1.00 0.00 C ATOM 1375 C ASP A 94 -4.513 8.385 11.585 1.00 0.00 C ATOM 1376 O ASP A 94 -4.432 7.920 12.722 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.961 10.756 12.164 1.00 0.00 C ATOM 1378 CG ASP A 94 -4.255 10.722 13.651 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -3.890 9.723 14.306 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -4.850 11.695 14.159 1.00 0.00 O ATOM 0 H ASP A 94 -6.618 9.495 12.503 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.786 10.071 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.928 10.454 11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.058 11.779 11.801 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.281 7.667 10.492 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.912 6.258 10.567 1.00 0.00 C ATOM 1387 C TYR A 95 -2.817 5.927 9.557 1.00 0.00 C ATOM 1388 O TYR A 95 -2.467 6.750 8.711 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.136 5.375 10.317 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.165 6.010 9.410 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -7.033 6.985 9.886 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.270 5.635 8.076 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.976 7.567 9.061 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.209 6.213 7.243 1.00 0.00 C ATOM 1395 CZ TYR A 95 -8.059 7.178 7.740 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.996 7.756 6.914 1.00 0.00 O ATOM 0 H TYR A 95 -4.342 8.037 9.543 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.529 6.062 11.568 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.810 4.432 9.878 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.603 5.137 11.273 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.969 7.293 10.919 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.606 4.879 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.644 8.322 9.448 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.277 5.910 6.208 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.172 8.673 7.210 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.280 4.715 9.653 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.225 4.273 8.748 1.00 0.00 C ATOM 1408 C HIS A 96 -1.799 3.424 7.618 1.00 0.00 C ATOM 1409 O HIS A 96 -2.916 2.918 7.715 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.168 3.476 9.514 1.00 0.00 C ATOM 1411 CG HIS A 96 0.299 4.149 10.767 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.553 4.512 11.789 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.538 4.525 11.162 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.142 5.083 12.757 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.414 5.102 12.401 1.00 0.00 N ATOM 0 H HIS A 96 -2.558 4.022 10.348 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.759 5.157 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.576 2.498 9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.689 3.305 8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.454 4.395 10.605 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.261 5.469 13.682 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.180 5.484 12.957 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.028 3.274 6.546 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.459 2.487 5.398 1.00 0.00 C ATOM 1426 C ALA A 97 -0.298 1.694 4.808 1.00 0.00 C ATOM 1427 O ALA A 97 0.813 2.208 4.672 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.076 3.389 4.341 1.00 0.00 C ATOM 0 H ALA A 97 -0.101 3.688 6.449 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.213 1.777 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.393 2.787 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.939 3.905 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.339 4.122 4.013 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.560 0.439 4.460 1.00 0.00 N ATOM 1435 CA LYS A 98 0.462 -0.426 3.884 1.00 0.00 C ATOM 1436 C LYS A 98 -0.074 -1.162 2.660 1.00 0.00 C ATOM 1437 O LYS A 98 -1.281 -1.357 2.521 1.00 0.00 O ATOM 1438 CB LYS A 98 0.953 -1.434 4.925 1.00 0.00 C ATOM 1439 CG LYS A 98 1.188 -0.826 6.297 1.00 0.00 C ATOM 1440 CD LYS A 98 1.831 -1.823 7.246 1.00 0.00 C ATOM 1441 CE LYS A 98 2.146 -1.188 8.592 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.166 -2.195 9.689 1.00 0.00 N ATOM 0 H LYS A 98 -1.473 -0.002 4.567 1.00 0.00 H new ATOM 0 HA LYS A 98 1.298 0.200 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.222 -2.238 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.881 -1.885 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.827 0.052 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.239 -0.486 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.163 -2.672 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.748 -2.211 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.113 -0.688 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.403 -0.422 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.384 -1.723 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.235 -2.655 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.893 -2.912 9.489 1.00 0.00 H new ATOM 1456 N VAL A 99 0.831 -1.571 1.777 1.00 0.00 N ATOM 1457 CA VAL A 99 0.449 -2.289 0.567 1.00 0.00 C ATOM 1458 C VAL A 99 1.151 -3.640 0.485 1.00 0.00 C ATOM 1459 O VAL A 99 2.376 -3.720 0.580 1.00 0.00 O ATOM 1460 CB VAL A 99 0.779 -1.473 -0.697 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.255 -1.599 -1.044 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.091 -1.921 -1.862 1.00 0.00 C ATOM 0 H VAL A 99 1.834 -1.417 1.877 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.628 -2.446 0.618 1.00 0.00 H new ATOM 0 HB VAL A 99 0.566 -0.423 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.469 -1.016 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.857 -1.226 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.498 -2.646 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.155 -1.334 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.089 -2.977 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.141 -1.774 -1.610 1.00 0.00 H new ATOM 1472 N GLN A 100 0.367 -4.698 0.306 1.00 0.00 N ATOM 1473 CA GLN A 100 0.915 -6.046 0.211 1.00 0.00 C ATOM 1474 C GLN A 100 0.704 -6.622 -1.186 1.00 0.00 C ATOM 1475 O GLN A 100 -0.422 -6.687 -1.678 1.00 0.00 O ATOM 1476 CB GLN A 100 0.266 -6.958 1.254 1.00 0.00 C ATOM 1477 CG GLN A 100 1.135 -8.138 1.656 1.00 0.00 C ATOM 1478 CD GLN A 100 0.329 -9.289 2.225 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.901 -9.290 2.167 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.020 -10.278 2.781 1.00 0.00 N ATOM 0 H GLN A 100 -0.648 -4.648 0.224 1.00 0.00 H new ATOM 0 HA GLN A 100 1.986 -5.990 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.032 -6.371 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.679 -7.331 0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.694 -8.485 0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.866 -7.811 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.039 -10.236 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.532 -11.079 3.181 1.00 0.00 H new ATOM 1489 N ALA A 101 1.796 -7.038 -1.819 1.00 0.00 N ATOM 1490 CA ALA A 101 1.731 -7.609 -3.159 1.00 0.00 C ATOM 1491 C ALA A 101 1.548 -9.122 -3.102 1.00 0.00 C ATOM 1492 O ALA A 101 2.259 -9.815 -2.374 1.00 0.00 O ATOM 1493 CB ALA A 101 2.985 -7.256 -3.945 1.00 0.00 C ATOM 0 H ALA A 101 2.736 -6.990 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 101 0.866 -7.183 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.923 -7.689 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.072 -6.172 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.860 -7.654 -3.431 1.00 0.00 H new ATOM 1499 N GLU A 102 0.591 -9.628 -3.873 1.00 0.00 N ATOM 1500 CA GLU A 102 0.315 -11.059 -3.908 1.00 0.00 C ATOM 1501 C GLU A 102 0.273 -11.570 -5.346 1.00 0.00 C ATOM 1502 O GLU A 102 -0.329 -10.947 -6.220 1.00 0.00 O ATOM 1503 CB GLU A 102 -1.012 -11.362 -3.209 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.596 -12.717 -3.573 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.507 -12.653 -4.783 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.678 -12.251 -4.624 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.047 -13.006 -5.890 1.00 0.00 O ATOM 0 H GLU A 102 -0.006 -9.068 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 102 1.120 -11.571 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.863 -11.318 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.733 -10.585 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.784 -13.417 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.154 -13.108 -2.723 1.00 0.00 H new ATOM 1514 N TYR A 103 0.917 -12.708 -5.582 1.00 0.00 N ATOM 1515 CA TYR A 103 0.957 -13.302 -6.913 1.00 0.00 C ATOM 1516 C TYR A 103 1.075 -14.820 -6.828 1.00 0.00 C ATOM 1517 O TYR A 103 1.878 -15.350 -6.062 1.00 0.00 O ATOM 1518 CB TYR A 103 2.129 -12.732 -7.714 1.00 0.00 C ATOM 1519 CG TYR A 103 1.914 -12.769 -9.210 1.00 0.00 C ATOM 1520 CD1 TYR A 103 2.001 -13.963 -9.915 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.624 -11.609 -9.919 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.806 -14.001 -11.282 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.426 -11.638 -11.286 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.519 -12.836 -11.963 1.00 0.00 C ATOM 1525 OH TYR A 103 1.323 -12.871 -13.325 1.00 0.00 O ATOM 0 H TYR A 103 1.418 -13.237 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 103 0.025 -13.056 -7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.302 -11.701 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.031 -13.293 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.225 -14.877 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.552 -10.669 -9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.878 -14.938 -11.815 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.200 -10.728 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 103 1.129 -11.967 -13.651 1.00 0.00 H new ATOM 1535 N ASN A 104 0.267 -15.515 -7.623 1.00 0.00 N ATOM 1536 CA ASN A 104 0.280 -16.973 -7.639 1.00 0.00 C ATOM 1537 C ASN A 104 -0.005 -17.535 -6.250 1.00 0.00 C ATOM 1538 O ASN A 104 0.517 -18.585 -5.874 1.00 0.00 O ATOM 1539 CB ASN A 104 1.631 -17.487 -8.142 1.00 0.00 C ATOM 1540 CG ASN A 104 1.575 -18.941 -8.567 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.697 -19.691 -8.140 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.515 -19.347 -9.413 1.00 0.00 N ATOM 0 H ASN A 104 -0.404 -15.092 -8.264 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.505 -17.311 -8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.958 -16.877 -8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.377 -17.370 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.528 -20.315 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.224 -18.691 -9.741 1.00 0.00 H new ATOM 1549 N SER A 105 -0.837 -16.829 -5.491 1.00 0.00 N ATOM 1550 CA SER A 105 -1.190 -17.256 -4.142 1.00 0.00 C ATOM 1551 C SER A 105 0.007 -17.134 -3.204 1.00 0.00 C ATOM 1552 O SER A 105 0.100 -17.845 -2.203 1.00 0.00 O ATOM 1553 CB SER A 105 -1.696 -18.699 -4.156 1.00 0.00 C ATOM 1554 OG SER A 105 -2.483 -18.975 -3.010 1.00 0.00 O ATOM 0 H SER A 105 -1.279 -15.959 -5.787 1.00 0.00 H new ATOM 0 HA SER A 105 -1.984 -16.604 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.286 -18.872 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.849 -19.384 -4.193 1.00 0.00 H new ATOM 0 HG SER A 105 -1.985 -18.727 -2.203 1.00 0.00 H new ATOM 1560 N ILE A 106 0.921 -16.229 -3.535 1.00 0.00 N ATOM 1561 CA ILE A 106 2.112 -16.013 -2.723 1.00 0.00 C ATOM 1562 C ILE A 106 2.076 -14.645 -2.048 1.00 0.00 C ATOM 1563 O ILE A 106 2.331 -13.621 -2.682 1.00 0.00 O ATOM 1564 CB ILE A 106 3.396 -16.124 -3.565 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.468 -17.491 -4.248 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.623 -15.896 -2.694 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.376 -17.516 -5.457 1.00 0.00 C ATOM 0 H ILE A 106 0.860 -15.633 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 106 2.120 -16.792 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 106 3.374 -15.354 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.816 -18.230 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.465 -17.790 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.523 -15.978 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.575 -14.902 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.652 -16.645 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.378 -18.516 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.016 -16.801 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.389 -17.249 -5.157 1.00 0.00 H new ATOM 1579 N LYS A 107 1.761 -14.637 -0.757 1.00 0.00 N ATOM 1580 CA LYS A 107 1.695 -13.396 0.006 1.00 0.00 C ATOM 1581 C LYS A 107 3.011 -13.133 0.731 1.00 0.00 C ATOM 1582 O LYS A 107 3.429 -13.916 1.583 1.00 0.00 O ATOM 1583 CB LYS A 107 0.547 -13.456 1.017 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.827 -13.521 0.374 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.931 -13.285 1.391 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.223 -12.845 0.720 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.327 -11.362 0.634 1.00 0.00 N ATOM 0 H LYS A 107 1.547 -15.476 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 107 1.515 -12.578 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.682 -14.329 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.596 -12.579 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.895 -12.775 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.965 -14.496 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.107 -14.200 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.613 -12.525 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.275 -13.271 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.074 -13.237 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.221 -11.103 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.303 -10.956 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.529 -10.990 0.080 1.00 0.00 H new ATOM 1601 N GLY A 108 3.659 -12.024 0.387 1.00 0.00 N ATOM 1602 CA GLY A 108 4.920 -11.677 1.015 1.00 0.00 C ATOM 1603 C GLY A 108 4.734 -10.837 2.263 1.00 0.00 C ATOM 1604 O GLY A 108 4.087 -11.266 3.220 1.00 0.00 O ATOM 0 H GLY A 108 3.333 -11.360 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.458 -12.590 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.539 -11.132 0.303 1.00 0.00 H new ATOM 1608 N THR A 109 5.304 -9.636 2.257 1.00 0.00 N ATOM 1609 CA THR A 109 5.200 -8.735 3.398 1.00 0.00 C ATOM 1610 C THR A 109 4.858 -7.318 2.951 1.00 0.00 C ATOM 1611 O THR A 109 5.409 -6.797 1.981 1.00 0.00 O ATOM 1612 CB THR A 109 6.510 -8.703 4.209 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.505 -9.747 5.189 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.688 -7.357 4.896 1.00 0.00 C ATOM 0 H THR A 109 5.843 -9.265 1.474 1.00 0.00 H new ATOM 0 HA THR A 109 4.398 -9.117 4.030 1.00 0.00 H new ATOM 0 HB THR A 109 7.341 -8.855 3.521 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.341 -9.721 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.619 -7.358 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.720 -6.567 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.852 -7.181 5.573 1.00 0.00 H new ATOM 1622 N PRO A 110 3.927 -6.678 3.673 1.00 0.00 N ATOM 1623 CA PRO A 110 3.491 -5.312 3.370 1.00 0.00 C ATOM 1624 C PRO A 110 4.573 -4.279 3.667 1.00 0.00 C ATOM 1625 O PRO A 110 5.162 -4.277 4.748 1.00 0.00 O ATOM 1626 CB PRO A 110 2.289 -5.109 4.295 1.00 0.00 C ATOM 1627 CG PRO A 110 2.521 -6.047 5.429 1.00 0.00 C ATOM 1628 CD PRO A 110 3.228 -7.238 4.842 1.00 0.00 C ATOM 0 HA PRO A 110 3.258 -5.184 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.226 -4.077 4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.353 -5.331 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.125 -5.578 6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.579 -6.341 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 110 3.925 -7.682 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.526 -8.020 4.554 1.00 0.00 H new ATOM 1636 N SER A 111 4.828 -3.401 2.702 1.00 0.00 N ATOM 1637 CA SER A 111 5.842 -2.365 2.859 1.00 0.00 C ATOM 1638 C SER A 111 5.591 -1.548 4.123 1.00 0.00 C ATOM 1639 O SER A 111 4.691 -1.854 4.904 1.00 0.00 O ATOM 1640 CB SER A 111 5.855 -1.444 1.637 1.00 0.00 C ATOM 1641 OG SER A 111 4.541 -1.049 1.283 1.00 0.00 O ATOM 0 H SER A 111 4.346 -3.387 1.803 1.00 0.00 H new ATOM 0 HA SER A 111 6.813 -2.852 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.459 -0.562 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.323 -1.956 0.796 1.00 0.00 H new ATOM 0 HG SER A 111 4.080 -0.701 2.074 1.00 0.00 H new ATOM 1647 N GLU A 112 6.396 -0.507 4.317 1.00 0.00 N ATOM 1648 CA GLU A 112 6.262 0.353 5.486 1.00 0.00 C ATOM 1649 C GLU A 112 4.862 0.956 5.561 1.00 0.00 C ATOM 1650 O GLU A 112 4.039 0.752 4.669 1.00 0.00 O ATOM 1651 CB GLU A 112 7.308 1.469 5.448 1.00 0.00 C ATOM 1652 CG GLU A 112 8.720 0.991 5.742 1.00 0.00 C ATOM 1653 CD GLU A 112 9.341 0.251 4.572 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.161 0.705 3.422 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.005 -0.780 4.806 1.00 0.00 O ATOM 0 H GLU A 112 7.147 -0.240 3.680 1.00 0.00 H new ATOM 0 HA GLU A 112 6.424 -0.257 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.290 1.939 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.035 2.236 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.344 1.848 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.704 0.337 6.614 1.00 0.00 H new ATOM 1662 N ALA A 113 4.600 1.698 6.632 1.00 0.00 N ATOM 1663 CA ALA A 113 3.301 2.331 6.823 1.00 0.00 C ATOM 1664 C ALA A 113 3.380 3.833 6.570 1.00 0.00 C ATOM 1665 O ALA A 113 4.203 4.529 7.164 1.00 0.00 O ATOM 1666 CB ALA A 113 2.783 2.058 8.227 1.00 0.00 C ATOM 0 H ALA A 113 5.270 1.875 7.380 1.00 0.00 H new ATOM 0 HA ALA A 113 2.606 1.903 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.812 2.537 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.680 0.983 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.485 2.459 8.958 1.00 0.00 H new ATOM 1672 N GLU A 114 2.520 4.325 5.683 1.00 0.00 N ATOM 1673 CA GLU A 114 2.495 5.745 5.351 1.00 0.00 C ATOM 1674 C GLU A 114 1.290 6.431 5.988 1.00 0.00 C ATOM 1675 O GLU A 114 0.179 6.371 5.462 1.00 0.00 O ATOM 1676 CB GLU A 114 2.461 5.935 3.833 1.00 0.00 C ATOM 1677 CG GLU A 114 2.063 7.338 3.405 1.00 0.00 C ATOM 1678 CD GLU A 114 3.168 8.352 3.629 1.00 0.00 C ATOM 1679 OE1 GLU A 114 3.340 8.797 4.783 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.860 8.700 2.650 1.00 0.00 O ATOM 0 H GLU A 114 1.832 3.762 5.182 1.00 0.00 H new ATOM 0 HA GLU A 114 3.402 6.201 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.445 5.705 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.761 5.220 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.792 7.329 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.176 7.645 3.959 1.00 0.00 H new ATOM 1687 N ILE A 115 1.520 7.082 7.124 1.00 0.00 N ATOM 1688 CA ILE A 115 0.454 7.780 7.832 1.00 0.00 C ATOM 1689 C ILE A 115 -0.040 8.983 7.035 1.00 0.00 C ATOM 1690 O ILE A 115 0.750 9.704 6.425 1.00 0.00 O ATOM 1691 CB ILE A 115 0.919 8.255 9.221 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.207 9.012 9.929 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.156 9.131 9.095 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.026 9.102 11.428 1.00 0.00 C ATOM 0 H ILE A 115 2.434 7.140 7.573 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.362 7.068 7.954 1.00 0.00 H new ATOM 0 HB ILE A 115 1.176 7.381 9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.271 10.019 9.518 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.156 8.520 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.472 9.459 10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.959 8.561 8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.924 10.002 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.861 9.651 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.008 8.098 11.851 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.906 9.621 11.651 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.351 9.195 7.047 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.952 10.312 6.326 1.00 0.00 C ATOM 1708 C PHE A 116 -3.216 10.796 7.029 1.00 0.00 C ATOM 1709 O PHE A 116 -4.165 10.035 7.222 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.279 9.901 4.889 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.369 8.872 4.793 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.701 9.251 4.803 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -3.060 7.525 4.692 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.706 8.306 4.716 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -4.060 6.575 4.604 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.385 6.966 4.615 1.00 0.00 C ATOM 0 H PHE A 116 -2.018 8.608 7.548 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.232 11.130 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.575 10.786 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.378 9.509 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.958 10.297 4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.026 7.214 4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.741 8.615 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.806 5.528 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.168 6.226 4.545 1.00 0.00 H new ATOM 1726 N THR A 117 -3.222 12.070 7.412 1.00 0.00 N ATOM 1727 CA THR A 117 -4.368 12.657 8.095 1.00 0.00 C ATOM 1728 C THR A 117 -5.401 13.168 7.097 1.00 0.00 C ATOM 1729 O THR A 117 -5.083 13.960 6.209 1.00 0.00 O ATOM 1730 CB THR A 117 -3.940 13.817 9.014 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.941 13.368 9.936 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.133 14.369 9.780 1.00 0.00 C ATOM 0 H THR A 117 -2.446 12.714 7.260 1.00 0.00 H new ATOM 0 HA THR A 117 -4.813 11.868 8.701 1.00 0.00 H new ATOM 0 HB THR A 117 -3.529 14.612 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.673 14.111 10.515 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.806 15.187 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.879 14.737 9.076 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.569 13.580 10.392 1.00 0.00 H new ATOM 1740 N THR A 118 -6.640 12.711 7.249 1.00 0.00 N ATOM 1741 CA THR A 118 -7.720 13.122 6.360 1.00 0.00 C ATOM 1742 C THR A 118 -8.416 14.374 6.883 1.00 0.00 C ATOM 1743 O THR A 118 -8.572 14.550 8.092 1.00 0.00 O ATOM 1744 CB THR A 118 -8.763 12.002 6.189 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.306 11.639 7.463 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.141 10.780 5.530 1.00 0.00 C ATOM 0 H THR A 118 -6.921 12.056 7.979 1.00 0.00 H new ATOM 0 HA THR A 118 -7.268 13.338 5.392 1.00 0.00 H new ATOM 0 HB THR A 118 -9.562 12.374 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.112 10.696 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.896 10.002 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.755 11.053 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.325 10.408 6.150 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.832 15.240 5.966 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.513 16.476 6.335 1.00 0.00 C ATOM 1756 C LEU A 119 -10.932 16.193 6.820 1.00 0.00 C ATOM 1757 O LEU A 119 -11.437 15.080 6.675 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.552 17.435 5.144 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.586 16.786 3.760 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.321 17.677 2.771 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.174 16.496 3.272 1.00 0.00 C ATOM 0 H LEU A 119 -8.710 15.109 4.962 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.956 16.939 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.430 18.073 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.678 18.084 5.197 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.124 15.841 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.335 17.199 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.344 17.834 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.811 18.638 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.218 16.034 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.611 17.428 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.680 15.818 3.968 1.00 0.00 H new ATOM 1773 N SER A 120 -11.569 17.208 7.395 1.00 0.00 N ATOM 1774 CA SER A 120 -12.929 17.068 7.903 1.00 0.00 C ATOM 1775 C SER A 120 -13.943 17.142 6.766 1.00 0.00 C ATOM 1776 O SER A 120 -13.651 17.668 5.691 1.00 0.00 O ATOM 1777 CB SER A 120 -13.224 18.155 8.937 1.00 0.00 C ATOM 1778 OG SER A 120 -13.641 19.356 8.310 1.00 0.00 O ATOM 0 H SER A 120 -11.165 18.136 7.521 1.00 0.00 H new ATOM 0 HA SER A 120 -13.014 16.091 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.999 17.810 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.333 18.344 9.535 1.00 0.00 H new ATOM 0 HG SER A 120 -13.825 20.035 8.993 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.136 16.612 7.011 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.196 16.617 6.009 1.00 0.00 C ATOM 1786 C CYS A 121 -16.260 17.962 5.292 1.00 0.00 C ATOM 1787 O CYS A 121 -16.500 18.022 4.086 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.545 16.308 6.660 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.803 15.714 5.506 1.00 0.00 S ATOM 0 H CYS A 121 -15.394 16.173 7.895 1.00 0.00 H new ATOM 0 HA CYS A 121 -15.970 15.844 5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.398 15.558 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.914 17.208 7.151 1.00 0.00 H new ATOM 0 HG CYS A 121 -19.907 15.478 6.151 1.00 0.00 H new